CID 111464

68938-75-0

Structural Information

Molecular Formula
C21H46N2O3
SMILES
CCCC(CC)COCC(CN(CC)CC)OCC(CN(CC)CC)O
InChI
InChI=1S/C21H46N2O3/c1-7-13-19(8-2)16-25-18-21(15-23(11-5)12-6)26-17-20(24)14-22(9-3)10-4/h19-21,24H,7-18H2,1-6H3
InChIKey
FCYFZZUXLXEBHG-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-[1-(diethylamino)-3-(2-ethylpentoxy)propan-2-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.35083 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.35811 206.7
[M+Na]+ 397.34005 205.1
[M-H]- 373.34355 205.7
[M+NH4]+ 392.38465 226.7
[M+K]+ 413.31399 206.0
[M+H-H2O]+ 357.34809 198.2
[M+HCOO]- 419.34903 221.0
[M+CH3COO]- 433.36468 234.3
[M+Na-2H]- 395.32550 200.5
[M]+ 374.35028 215.0
[M]- 374.35138 215.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.